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Information card for entry 7155653
Preview
Coordinates | 7155653.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H17 N O2 |
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Calculated formula | C14 H17 N O2 |
SMILES | O=C1N([C@H]2[C@@H]1c1c(OC2)cccc1)C(C)(C)C.O=C1N([C@@H]2[C@H]1c1c(OC2)cccc1)C(C)(C)C |
Title of publication | Cobalt carbonyl-catalyzed carbonylation of functionalized aziridines to versatile β-lactam building blocks |
Authors of publication | Piens, Nicola; Van Hecke, Kristof; Vogt, Dieter; D'hooghe, Matthias |
Journal of publication | Org. Biomol. Chem. |
Year of publication | 2017 |
a | 8.9339 ± 0.0009 Å |
b | 11.2293 ± 0.0011 Å |
c | 13.7571 ± 0.0008 Å |
α | 78.616 ± 0.006° |
β | 88.105 ± 0.007° |
γ | 69.424 ± 0.009° |
Cell volume | 1265.7 ± 0.2 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1253 |
Residual factor for significantly intense reflections | 0.0831 |
Weighted residual factors for significantly intense reflections | 0.1618 |
Weighted residual factors for all reflections included in the refinement | 0.188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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